TRAVIS – Trajectory Analyzer and Visualizer
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TRAVIS, which stands for Trajectory Analyzer and Visualizer, is a software tool which can compute a plethora of functions and histograms from molecular dynamics and Monte Carlo simulation trajectories. I am the main developer of the TRAVIS program package. Please visit the TRAVIS website: www.travis-analyzer.de In April 2020, our new open access article on TRAVIS has been published. It describes many of the new features and algorithms which have been added to TRAVIS within the last nine years. Please have a look: M. Brehm, M. Thomas, S. Gehrke, B. Kirchner: Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018). |
Want to join the TRAVIS team? There are two PhD positions available in the group of Prof. Martin Brehm at the University of Paderborn (Germany). Please see the official announcements in German and English language. You can apply until 15.03.2024.
— Work Citing TRAVIS —
Only showing results in journal “ChemPhysChem”. Show all citations.
Go to Author List, go to Journal List.
Show only articles where TRAVIS was used to compute...
... any result (766)
... RDFs (g(r), Radial Distribution Functions) (358)
... Number Integrals / Coordination Numbers (110)
... SDFs (Spatial Distribution Functions) (374)
... CDFs (Combined Distribution Functions) (210)
... 3D CDFs (3)
... Structure Factors / van Howe Correlations (59)
... Density Profiles (30)
... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (86)
... MSDs (Mean Square Displacements), Diffusion Coefficients (78)
... Vector Reorientation Dynamics / Rotational Relaxation Times (17)
... Voronoi Statistics / Surface Coverage / Visualization (20)
... Voronoi-based Domain Analysis (39)
... Power Spectra / Vibrational Density of States (67)
... Vibrational Spectra (IR, Raman, VCD, ROA) (79)
... Bulk Phase Normal Modes (8)
... Order Parameters (3)
... Sankey Diagrams / Hydrogen Bond Topology (8)
... Connection Matrix (8)
17 citations match the query. Show continuous list view.
— 2023 —
| 17 | T. Lenk, S. Rabet, M. Sprick, G. Raabe, U. Schröder: "Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process" ChemPhysChem 2023, 24 (5), e202200614. (DOI 10.1002/cphc.202200614 ) ⭳ Bib Uses TRAVIS for CDF, DProf. |
— 2022 —
| 16 | Y. Yang, J. Cheramy, M. Brehm, Y. Xu: "Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations" ChemPhysChem 2022, 23 (11), e202200161. (DOI 10.1002/cphc.202200161 ) ⭳ Bib Uses TRAVIS for Spec. |
| 15 | P. Nanavare, A. R. Choudhury, S. Sarkar, A. Maity, R. Chakrabarti: "Structure and Orientation of Water and Choline Chloride Molecules around a Methane Hydrophobe: A Computer Simulation Study" ChemPhysChem 2022, 23 (21), e202200446. (DOI 10.1002/cphc.202200446 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
| 14 | A. Biswas, B. S. Mallik: "Multiple Ensembles of the Hydrogen-Bonded Network in Ethylammonium Nitrate versus Water from Vibrational Spectral Dynamics of SCN-Probe" ChemPhysChem 2022, 23 (23), e202200497. (DOI 10.1002/cphc.202200497 ) ⭳ Bib Uses TRAVIS for RDF, NI, CDF. |
— 2021 —
| 13 | M. Fischer: "Revisiting the Structure of Calcined and Hydrated AlPO-11 with DFT-based Molecular Dynamics Simulations" ChemPhysChem 2021, 22 (20), 2063–2077. (DOI 10.1002/cphc.202100486 ) ⭳ Bib Uses TRAVIS for RDF. |
— 2020 —
| 12 | O. Hollóczki, S. Gehrke: "Can Nanoplastics Alter Cell Membranes?" ChemPhysChem 2020, 21 (1), 9–12. (DOI 10.1002/cphc.201900481 ) ⭳ Bib Uses TRAVIS for RDF, Voro, Domain. |
— 2019 —
| 11 | V. Alizadeh, D. Geller, F. Malberg, P. B. Sánchez, A. A. H. Pádua, B. Kirchner: "Strong Microheterogeneity in Novel Deep Eutectic Solvents" ChemPhysChem 2019, 20 (14), 1786–1792. (DOI 10.1002/cphc.201900307 ) ⭳ Bib Uses TRAVIS for RDF, NI, SDF, CDF, Domain. |
| 10 | B. Milovanović, I. M. Stanković, M. Petković, M. Etinski: "Elucidating Solvent Effects on Strong Intramolecular Hydrogen Bond: DFT‐MD Study of Dibenzoylmethane in Methanol Solution" ChemPhysChem 2019, 20 (21), 2852–2859. (DOI 10.1002/cphc.201900704 ) ⭳ Bib Uses TRAVIS for RDF. |
— 2018 —
| 9 | L. Gontrani, F. Trequattrini, O. Palumbo, L. Bencivenni, A. Paolone: "New Experimental Evidences Regarding Conformational Equilibrium in Ammonium−bis(trifluoromethanesulfonyl)imide Ionic Liquids" ChemPhysChem 2018, 19 (20), 2776–2781. (DOI 10.1002/cphc.201800442 ) ⭳ Bib Uses TRAVIS for RDF, NI. |
| 8 | S. T. Keaveney, J. B. Harper, A. K. Croft: "Ion-Reagent Interactions Contributing to Ionic Liquid Solvent Effects on a Condensation Reaction" ChemPhysChem 2018, 19 (23), 3279–3287. (DOI 10.1002/cphc.201800695 ) ⭳ Bib Uses TRAVIS for RDF, SDF. |
— 2016 —
| 7 | A. Mariani, P. Ballirano, F. Angiolari, R. Caminiti, L. Gontrani: "Does High Pressure Induce Structural Reorganization in Linear Alcohols? A Computational Answer" ChemPhysChem 2016, 17 (19), 3023–3029. (DOI 10.1002/cphc.201600268 ) ⭳ Bib Uses TRAVIS for CDF. |
| 6 | S. Zahn, B. Kirchner, D. Mollenhauer: "Charge Spreading in Deep Eutectic Solvents" ChemPhysChem 2016, 17 (21), 3354–3358. (DOI 10.1002/cphc.201600348 ) ⭳ Bib Uses TRAVIS for RDF. |
— 2015 —
| 5 | O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner: "Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures" ChemPhysChem 2015, 16 (15), 3325–3333. (DOI 10.1002/cphc.201500473 ) ⭳ Bib Uses TRAVIS for RDF, SFac. |
| 4 | M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner: "Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids" ChemPhysChem 2015, 16 (15), 3271–3277. (DOI 10.1002/cphc.201500471 ) ⭳ Bib Uses TRAVIS for RDF, Domain. |
— 2013 —
| 3 | O. Hollóczki, Z. Kelemen, L. Könczöl, D. Szieberth, L. Nyulászi, A. Stark, B. Kirchner: "Significant Cation Effects in Carbon Dioxide-Ionic Liquid Systems" ChemPhysChem 2013, 14 (2), 315–320. (DOI 10.1002/cphc.201200970 ) ⭳ Bib Uses TRAVIS for RDF, CDF. |
— 2012 —
| 2 | S. N. Butler, F. Müller-Plathe: "A Molecular Dynamics Study of Viscosity in Ionic Liquids Directed by Quantitative Structure-Property Relationships" ChemPhysChem 2012, 13 (7), 1791–1801. (DOI 10.1002/cphc.201200039 ) ⭳ Bib Uses TRAVIS for SDF. |
| 1 | A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner: "Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate" ChemPhysChem 2012, 13 (7), 1845–1853. (DOI 10.1002/cphc.201100917 ) ⭳ Bib Uses TRAVIS for CDF, Aggr, MSD, Power. |
— Author List —
Only showing results in journal “ChemPhysChem”. Show all citations.
Go to Article List, go to Journal List.
58 different authors contributed to the 17 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 6 | (show) | Kirchner, B. |
| 4 | (show) | Brehm, M. |
| 4 | (show) | Hollóczki, O. |
| 2 | (show) | Gontrani, L. |
| 2 | (show) | Stark, A. |
| 2 | (show) | Thomas, M. |
| 2 | (show) | Weber, H. |
| 1 | (show) | Alizadeh, V. |
| 1 | (show) | Angiolari, F. |
| 1 | (show) | Ballirano, P. |
| 1 | (show) | Bencivenni, L. |
| 1 | (show) | Biswas, A. |
| 1 | (show) | Butler, S. N. |
| 1 | (show) | Caminiti, R. |
| 1 | (show) | Chakrabarti, R. |
| 1 | (show) | Choudhury, A. R. |
| 1 | (show) | Cheramy, J. |
| 1 | (show) | Croft, A. K. |
| 1 | (show) | Etinski, M. |
| 1 | (show) | Harper, J. B. |
| 1 | (show) | Fischer, M. |
| 1 | (show) | Geller, D. |
| 1 | (show) | Gehrke, S. |
| 1 | (show) | Keaveney, S. T. |
| 1 | (show) | Kelemen, Z. |
| 1 | (show) | Könczöl, L. |
| 1 | (show) | Lenk, T. |
| 1 | (show) | Macchiagodena, M. |
| 1 | (show) | Maity, A. |
| 1 | (show) | Malberg, F. |
| 1 | (show) | Mallik, B. S. |
| 1 | (show) | Mariani, A. |
| 1 | (show) | Milovanović, B. |
| 1 | (show) | Mollenhauer, D. |
| 1 | (show) | Müller-Plathe, F. |
| 1 | (show) | Nanavare, P. |
| 1 | (show) | Nyulászi, L. |
| 1 | (show) | Pádua, A. A. H. |
| 1 | (show) | Palumbo, O. |
| 1 | (show) | Paolone, A. |
| 1 | (show) | Pensado, A. S. |
| 1 | (show) | Petković, M. |
| 1 | (show) | Raabe, G. |
| 1 | (show) | Rabet, S. |
| 1 | (show) | Russina, O. |
| 1 | (show) | Sánchez, P. B. |
| 1 | (show) | Sarkar, S. |
| 1 | (show) | Schröder, U. |
| 1 | (show) | Seitsonen, A. P. |
| 1 | (show) | Sprick, M. |
| 1 | (show) | Stanković, I. M. |
| 1 | (show) | Szieberth, D. |
| 1 | (show) | Thar, J. |
| 1 | (show) | Trequattrini, F. |
| 1 | (show) | Triolo, A. |
| 1 | (show) | Xu, Y. |
| 1 | (show) | Yang, Y. |
| 1 | (show) | Zahn, S. |
— Journal List —
Only showing results in journal “ChemPhysChem”. Show all citations.
Go to Article List, go to Author List.
The 17 articles shown above were published in 1 different journals.
| Citations | Journal Name | |
|---|---|---|
| 17 | (show) | ChemPhysChem |
